162713-44-2

Upstream product

• 207982-87-4 4-(4-chlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1H-imidazol-5(4H)-one 
• 280137-25-9 2-thioxo-5-(4-chlorophenylmethylidene)-4-imidazolidinone 
• 64-17-5 ethanol 
• 162713-43-1 N-<5-(4-chlorobenzylidene)-4-oxo-2-imidazolidinyl>glycine 

Relevant academic research and scientific papers

Structure and activity studies of glycine receptor ligands. Part 7. Structural remarks on arylidene-imidazoline-4-one glycinates and glycinamides

To improve the physicochemical properties (lipophilicity) of the potential ligands of glycine binding site of NMDA receptor, esters and amides of glycine derivatives of arylidene-imidazolidine-4-ones were obtained. The analysis of their properties (X-ray crystallography, NMR spectral data and theoretical calculations) was performed with respect to the existence of the probable tautomeric forms. Their possible interaction with hypothetical active points of the receptor (taking into the account the model of glycine binding site of NMDA receptor) was discussed on the basis of simulation with IsoStar. program.

Synthesis, properties and structure of 1-acetyl-6-(4-chlorobenzylidene)-2,3,5,6-tetrahydroimidazo[2,1-b]imida zole-3,5-dione

Cyclization of N-[5-(4-chlorobenzylidene)-4-oxo-2-imidazolidinyl]glycine (4) in acetic acid anhydride yielded 1-acetyl-6-(4-chlorobenzylidene)2,3,5,6-tetrahydroimidazo[2,1-b]imidaz ole-3,5-dione (5). The structure of 5 was ascribed on basis of its MS, 1H- and 13C-NMR properties. The crystal structure of 5 was solved by X-ray analysis. On the basis of semiempirical quantum chemistry calculations (PM3 method) the thermodynamic stability of theoretically possible cyclization products was determined. These data allow to predict the direction of cyclization. The stability and the reactivity of 5 toward nucleophilic attack were examined.